Information card for entry 4349826

Structure parameters

• Formula: C16 H11 N13 O6 Zn2
• Calculated formula: C16 H11 N13 O6 Zn2
• Title of publication: Synthesis of zeolitic tetrazolate-imidazolate frameworks (ZTIFs) in ethylene glycol
• Authors of publication: Li, Min-Yu; Zhang, Hai-Xia; Wang, Fei; Zhang, Jian
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 675
• a: 18.363 ± 0.003 Å
• b: 15.899 ± 0.002 Å
• c: 7.6788 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2241.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No